SOLITHROMYCIN
ID: CHEMBL1232510
Name: SOLITHROMYCIN
Max Phase:
Phase 3
Learn more
Molecular Formula: C43H65FN6O10
Molecular Weight: 845.02
Molecule Type: Small molecule
Synonyms and Trade Names:
CEM 101
CEM-101
CEM101
OP 1068
OP-1068
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
Click on a chip to see all the compounds that belong to the
corresponding source.
Alternative forms of compound CHEMBL1232510
5
Showing 1-5
out of 5 records
| # | MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|---|---|---|---|---|---|
| 1. |
Bacterial Infections
|
bacterial disease
| 3 | |||
| 2. |
Gonorrhea
|
gonorrhea
| 3 | |||
| 3. |
Pneumonia, Bacterial
|
bacterial pneumonia
| 3 | |||
| 4. |
Pulmonary Disease, Chronic Obstructive
|
chronic obstructive pulmonary disease
| 2 | |||
| 5. |
Non-alcoholic Fatty Liver Disease
|
non-alcoholic steatohepatitis
| 2 |
Showing 1-5
out of 5 records
Compounds similar to CHEMBL1232510
Compounds with at least 85% similarity.
1
2
3
4
1 - 4 out of 13
Bioactivity Summary
Total
254
MIC
MIC90
MIC50
Activity
Inhibition
Drug uptake
log10cfu
EC50
Hit score
MBC90
Solubility
FC
Kd
Ki
Peff
Stability
T1/2
TIME
Tmax
Assay Summary
Total
215
F - Functional
A - ADME
B - Binding
P - Physicochemical
Target Summary
Total
33
N/A
Enzyme
Epigenetic regulator
Other cytosolic protein
Unclassified protein
Histogram Settings
|
Total
17
Journal:
Antimicrob Agents Chemother
N/A
Bioorg Med Chem
ACS Med Chem Lett
Bioorg Med Chem Lett
J Med Chem
Eur J Med Chem
The table below displays ChEMBL targets which are predicted to interact with SOLITHROMYCIN (CHEMBL1232510). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not SOLITHROMYCIN (CHEMBL1232510) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4
| Target | Target Pref. Name | Confidence 70% | Confidence 80% | Confidence 90% | Activity Threshold |
|---|---|---|---|---|---|
| CHEMBL2902 | Dihydrofolate reductase | inactive | inactive | inactive | 6 |
| CHEMBL2725 | Beta-lactamase | empty | both | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | empty | inactive | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | inactive | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | empty | empty | active | 6 |
Molecular Weight:
845.02
Molecular Weight (Monoisotopic):
844.4746
AlogP:
4.60
#Rotatable Bonds:
11
Polar Surface Area:
197.87
Molecular Species:
NEUTRAL
HBA:
15
HBD:
2
#RO5 Violations:
2
HBA (Lipinski):
16
HBD (Lipinski):
3
#RO5 Violations (Lipinski):
2
CX Acidic pKa:
12.83
CX Basic pKa:
7.68
CX LogP:
5.76
CX LogD:
5.30
Aromatic Rings:
2
Heavy Atoms:
60
QED Weighted:
0.14
Np Likeness Score:
0.53
| Alert Set | Priority | Alerts |
|---|---|---|
| Dundee | 4 | |
| MLSMR | 3 |
UniChem Connectivity Layer Cross References for
CHEMBL1232510
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL1232510 | ||||
| DB09308 | ||||
| EM1 | ||||
| 10859 | ||||
| 136349990 |
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